5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine

C19H39N5 — CID 91563692

IUPAC5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine
SMILESCCCC(CC)C1CNCNC1.CCCC(CC)N1C=NC=NC1
InChIInChI=1S/C10H22N2.C9H17N3/c1-3-5-9(4-2)10-6-11-8-12-7-10;1-3-5-9(4-2)12-7-10-6-11-8-12/h9-12H,3-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3
InChIKeyYQBLIMDUJDYKOI-UHFFFAOYSA-N
MW337.56 g/mol
LogP3.47
Rot. Bonds8

About 5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine

5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine (PubChem CID 91563692) has the molecular formula C19H39N5 and a molecular weight of 337.56 g/mol. Its IUPAC name is 5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine.

Molecular Properties

Compound Name5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine
PubChem CID91563692
Molecular FormulaC19H39N5
Molecular Weight337.56 g/mol
Exact Mass337.32
IUPAC Name5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine
SMILESCCCC(CC)C1CNCNC1.CCCC(CC)N1C=NC=NC1
InChIInChI=1S/C10H22N2.C9H17N3/c1-3-5-9(4-2)10-6-11-8-12-7-10;1-3-5-9(4-2)12-7-10-6-11-8-12/h9-12H,3-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3
InChIKeyYQBLIMDUJDYKOI-UHFFFAOYSA-N
XLogP3.47
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.56
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine?
The IUPAC name of 5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine (CID 91563692) is 5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine.
What is the SMILES notation for 5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine?
The canonical SMILES for 5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine is CCCC(CC)C1CNCNC1.CCCC(CC)N1C=NC=NC1.
What is the InChIKey of 5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine?
The InChIKey is YQBLIMDUJDYKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C9H17N3/c1-3-5-9(4-2)10-6-11-8-12-7-10;1-3-5-9(4-2)12-7-10-6-11-8-12/h9-12H,3-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine?
5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine has a molecular weight of 337.56 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexan-3-yl-1,3-diazinane;1-hexan-3-yl-2H-1,3,5-triazine is sourced from PubChem (CID 91563692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).